Maxwell D. Radin

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The thermodynamic stability and electronic structure of 40 surfaces of lithium peroxide (Li(2)O(2)) and lithium oxide (Li(2)O) were characterized using first-principles calculations. As these compounds constitute potential discharge products in Li-oxygen batteries, their surface properties are expected to play a key role in understanding electrochemical(More)
The mechanisms and efficiency of charge transport in lithium peroxide (Li2O2) are key factors in understanding the performance of non-aqueous Li–air batteries. Towards revealing these mechanisms, here we use first-principles calculations to predict the concentrations and mobilities of charge carriers and intrinsic defects in Li2O2 as a function of cell(More)
The surface properties of the Li2O2 discharge phase are expected to impact strongly the capacity, rate capability, and rechargeability of Li-oxygen batteries. Prior calculations have suggested that the presence of halfmetallic surface states in Li2O2 may mitigate electrical passivation resulting from the growth of Li2O2, which is a bulk insulator. Here we(More)
The ability to store electrical energy at high densities, high efficiencies, and with low costs is a cross-cutting issue that impacts a wide range of applications. Rechargeable lithium-air batteries are a newer form of energy storage with theoretical energy densities approximately an order of magnitude greater than today’s lithium-ion batteries. However,(More)
The performance of Li/O2 batteries is thought to be limited by charge transport through the solid Li2O2 discharge product. Prior studies suggest that electron tunneling is the main transport mechanism through thin, compact Li2O2 deposits. The present study employs a new continuum transport model to explore an alternative scenario, in which charge transport(More)
A viable Li/O2 battery will require the development of stable electrolytes that do not continuously decompose during cell operation. Recent experiments suggest that reactions occurring at the interface between the liquid electrolyte and the solid lithium peroxide (Li2O2) discharge phase are a major contributor to these instabilities. To clarify the(More)
A metal-oxygen battery (sometimes referred to as a ‘metal-air’ battery) is a cell chemistry in which one of the reactants is gaseous oxygen, O2. Oxygen enters the cell typically in the positive electrode—perhaps after being separated from an inflow of air—and dissolves in the electrolyte. The negative electrode is typically a metal monolith or foil. Upon(More)
We report heat capacity, thermogravimetry and thermal diffusivity data for carbonized mesophase pitch coated LiFePO4 (LFP) cathodes. The results are compared with the thermophysical properties of a conventional LFP-based electrode having a poly (vinylene) difluoride (PVDF) binder and conductive carbon diluents. The measured heat capacity of LFP as a(More)
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